Benzpiperylone
[CAS# 53-89-4]

Identification

• Name: Benzpiperylone
• Synonyms: 2-(1-Methyl-4-Piperidyl)-5-Phenyl-4-(Phenylmethyl)-1H-Pyrazol-3-One; 2-(1-Methyl-4-Piperidinyl)-5-Phenyl-4-(Phenylmethyl)-1H-Pyrazol-3-One; 4-(Benzyl)-2-(1-Methyl-4-Piperidyl)-5-Phenyl-1H-Pyrazol-3-One
• Molecular Formula: C₂₂H₂₅N₃O
• Molecular Weight: 347.46
• CAS Registry Number: 53-89-4
• EINECS: 200-187-0
• SMILES: C4=C(C1=C(C(=O)N(N1)C2CCN(C)CC2)CC3=CC=CC=C3)C=CC=C4
• InChI: 1S/C22H25N3O/c1-24-14-12-19(13-15-24)25-22(26)20(16-17-8-4-2-5-9-17)21(23-25)18-10-6-3-7-11-18/h2-11,19,23H,12-16H2,1H3
• InChIKey: KMGARVOVYXNAOF-UHFFFAOYSA-N

Properties

• Density: 1.177g/cm³ (Cal.)
• Boiling point: 500.472°C at 760 mmHg (Cal.)
• Flash point: 256.476°C (Cal.)